(4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol

C20H34O3 — CID 70393913

IUPAC(4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)CCC(O)C1CC1
InChIInChI=1S/C20H34O3/c1-16(9-12-19(21)18-10-11-18)6-5-7-17(2)13-15-23-20-8-3-4-14-22-20/h6,13,18-21H,3-5,7-12,14-15H2,1-2H3/b16-6+,17-13+
InChIKeyLXYQDXGQONXHJU-DLQNABGMSA-N
MW322.49 g/mol
LogP4.75
Rot. Bonds10

About (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol

(4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol (PubChem CID 70393913) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol.

Molecular Properties

Compound Name(4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol
PubChem CID70393913
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)CCC(O)C1CC1
InChIInChI=1S/C20H34O3/c1-16(9-12-19(21)18-10-11-18)6-5-7-17(2)13-15-23-20-8-3-4-14-22-20/h6,13,18-21H,3-5,7-12,14-15H2,1-2H3/b16-6+,17-13+
InChIKeyLXYQDXGQONXHJU-DLQNABGMSA-N
XLogP4.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
The IUPAC name of (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol (CID 70393913) is (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol.
What is the SMILES notation for (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
The canonical SMILES for (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol is C/C(=C\COC1CCCCO1)CC/C=C(\C)CCC(O)C1CC1.
What is the InChIKey of (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
The InChIKey is LXYQDXGQONXHJU-DLQNABGMSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(9-12-19(21)18-10-11-18)6-5-7-17(2)13-15-23-20-8-3-4-14-22-20/h6,13,18-21H,3-5,7-12,14-15H2,1-2H3/b16-6+,17-13+.
What are the key properties of (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
(4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol has a molecular weight of 322.49 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol is sourced from PubChem (CID 70393913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).